⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL19488501 | 0.90 | — | — | |
| SCHEMBL19488815 | 0.82 | — | — | |
| SCHEMBL19488493 | 0.81 | — | — | |
| SCHEMBL19488490 | 0.76 | AAK1 (0.32) | — | |
| SCHEMBL19488797 | 0.72 | SCN10A (0.34) | — | |
| SCHEMBL14641545 | 0.69 | — | — | |
| SCHEMBL13221478 | 0.69 | — | — | |
| SCHEMBL10201770 | 0.67 | SCN10A (0.41) | — | |
| SCHEMBL19488812 | 0.66 | — | — | |
| SCHEMBL10202463 | 0.63 | GPR119 (0.31) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2601188-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-10-18 | — | — | EP | disclosed |